[Cdk-devel] [ cdk-Patches-3029352 ] MDLWriter happily writes bond order 4 which is not supported

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Patches item #3029352, was opened at 2010-07-14 09:51
Message generated for change (Tracker Item Submitted) made by egonw
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Category: master
Group: None
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Egon Willighagen (egonw)
Assigned to: Nobody/Anonymous (nobody)
Summary: MDLWriter happily writes bond order 4 which is not supported

Initial Comment:
Right now, the code uses IBond.ordinal(), causing QUADRUPLE bonds to be written as bond order 4. However, the format does not support quadruple bond orders, and should throw an exception for illegal input.

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You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3029352&group_id=20024